1PGT

CRYSTAL STRUCTURE OF HUMAN GLUTATHIONE S-TRANSFERASE P1-1[V104] COMPLEXED WITH S-HEXYLGLUTATHIONE

External Resource: Annotation

Domain Annotation: SCOP/SCOPe Classification
Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
Domain Annotation: CATH
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification
Pharos: Disease Associations
Structure Motif: Primary M-CSA Annotation

Domain Annotation: SCOP/SCOPe Classification SCOP-e Database Homepage

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
B	d1pgtb1	All alpha proteins	GST C-terminal domain-like	GST C-terminal domain-like	Glutathione S-transferase (GST), C-terminal domain	Class pi GST	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d1pgtb2	Alpha and beta proteins (a/b)	Thioredoxin fold	Thioredoxin-like	Glutathione S-transferase (GST), N-terminal domain	Class pi GST	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
A	d1pgta1	All alpha proteins	GST C-terminal domain-like	GST C-terminal domain-like	Glutathione S-transferase (GST), C-terminal domain	Class pi GST	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
A	d1pgta2	Alpha and beta proteins (a/b)	Thioredoxin fold	Thioredoxin-like	Glutathione S-transferase (GST), N-terminal domain	Class pi GST	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
B	SCOP2B Superfamily	Thioredoxin-like	8036512	3000031	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	GST C-terminal domain-like	8036511	3000305	SCOP2B (2022-06-29)
A	SCOP2B Superfamily	Thioredoxin-like	8036512	3000031	SCOP2B (2022-06-29)
A	SCOP2B Superfamily	GST C-terminal domain-like	8036511	3000305	SCOP2B (2022-06-29)

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
B	GST_C_3	e1pgtB1	A: alpha superhelices	X: Repetitive alpha hairpins	H: Glutathione S-transferase (GST)-C (From Topology)	T: Glutathione S-transferase (GST)-C	F: GST_C_3	ECOD (1.6)
B	GST_N_5	e1pgtB2	A: a+b three layers	X: Thioredoxin-like	H: Thioredoxin-like (From Topology)	T: Thioredoxin-like	F: GST_N_5	ECOD (1.6)
A	GST_C_3	e1pgtA1	A: alpha superhelices	X: Repetitive alpha hairpins	H: Glutathione S-transferase (GST)-C (From Topology)	T: Glutathione S-transferase (GST)-C	F: GST_C_3	ECOD (1.6)
A	GST_N_5	e1pgtA2	A: a+b three layers	X: Thioredoxin-like	H: Thioredoxin-like (From Topology)	T: Thioredoxin-like	F: GST_N_5	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
B	3.40.30.10	Alpha Beta	3-Layer(aba) Sandwich	Glutaredoxin	Glutaredoxin	CATH (4.3.0)
B	1.20.1050.10	Mainly Alpha	Up-down Bundle	Glutathione S-transferase Yfyf (Class Pi)	Chain A, domain 2	CATH (4.3.0)
A	3.40.30.10	Alpha Beta	3-Layer(aba) Sandwich	Glutaredoxin	Glutaredoxin	CATH (4.3.0)
A	1.20.1050.10	Mainly Alpha	Up-down Bundle	Glutathione S-transferase Yfyf (Class Pi)	Chain A, domain 2	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B	PF14497	Glutathione S-transferase, C-terminal domain (GST_C_3)	Glutathione S-transferase, C-terminal domain	This domain is closely related to Pfam:PF00043.	Domain
A, B	PF02798	Glutathione S-transferase, N-terminal domain (GST_N)	Glutathione S-transferase, N-terminal domain	Function: conjugation of reduced glutathione to a variety of targets. Also included in the alignment, but not GSTs: S-crystallins from squid (similarity to GST previously noted); eukaryotic elongation factors 1-gamma (not known to have GST activity a ...	Function: conjugation of reduced glutathione to a variety of targets. Also included in the alignment, but not GSTs: S-crystallins from squid (similarity to GST previously noted); eukaryotic elongation factors 1-gamma (not known to have GST activity and similarity not previously recognised); HSP26 family of stress-related proteins including auxin-regulated proteins in plants and stringent starvation proteins in E. coli (not known to have GST activity and similarity not previously recognised). The glutathione molecule binds in a cleft between the N- and C-terminal domains - the catalytically important residues are proposed to reside in the N-terminal domain [1].	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B	GLUTATHIONE S-TRANSFERASE	dinitrosyl-iron complex binding binding metal cluster binding small molecule binding peroxidase activity oxidoreductase activity antioxidant activity oxidoreductase activity, acting on peroxide as acceptor glutathione peroxidase activity catalytic activity nitric oxide binding ion binding anion binding S-nitrosoglutathione binding dinitrosyl-iron complex binding binding metal cluster binding small molecule binding peroxidase activity oxidoreductase activity antioxidant activity oxidoreductase activity, acting on peroxide as acceptor glutathione peroxidase activity catalytic activity nitric oxide binding ion binding anion binding S-nitrosoglutathione binding sulfur compound binding enzyme regulator activity molecular function regulator activity kinase regulator activity JUN kinase binding protein binding kinase binding enzyme binding protein kinase binding fatty acid binding organic acid binding lipid binding carboxylic acid binding monocarboxylic acid binding glutathione transferase activity transferase activity transferase activity, transferring alkyl or aryl (other than methyl) groups	cellular response to stimulus regulation of cellular process response to stimulus signaling negative regulation of signaling negative regulation of intracellular signal transduction negative regulation of stress-activated MAPK cascade negative regulation of biological process regulation of cellular response to stress regulation of signal transduction intracellular signal transduction negative regulation of cell communication cell communication stress-activated MAPK cascade cellular response to stress cellular response to stimulus regulation of cellular process response to stimulus signaling negative regulation of signaling negative regulation of intracellular signal transduction negative regulation of stress-activated MAPK cascade negative regulation of biological process regulation of cellular response to stress regulation of signal transduction intracellular signal transduction negative regulation of cell communication cell communication stress-activated MAPK cascade cellular response to stress regulation of intracellular signal transduction response to stress regulation of response to stress intracellular signaling cassette negative regulation of cellular process signal transduction regulation of biological process regulation of signaling negative regulation of response to stimulus biological regulation regulation of stress-activated protein kinase signaling cascade regulation of MAPK cascade negative regulation of signal transduction regulation of stress-activated MAPK cascade stress-activated protein kinase signaling cascade regulation of response to stimulus negative regulation of stress-activated protein kinase signaling cascade MAPK cascade regulation of cell communication cellular process negative regulation of MAPK cascade reactive oxygen species metabolic process positive regulation of biological process regulation of superoxide metabolic process positive regulation of reactive oxygen species metabolic process superoxide metabolic process positive regulation of metabolic process superoxide anion generation metabolic process positive regulation of superoxide anion generation regulation of superoxide anion generation regulation of metabolic process regulation of reactive oxygen species metabolic process positive regulation of cellular process multicellular organismal process regulation of tumor necrosis factor production negative regulation of tumor necrosis factor production cytokine production regulation of cytokine production regulation of multicellular organismal process negative regulation of macromolecule metabolic process regulation of biosynthetic process negative regulation of metabolic process tumor necrosis factor superfamily cytokine production negative regulation of cytokine production regulation of macromolecule metabolic process gene expression macromolecule biosynthetic process tumor necrosis factor production regulation of gene expression negative regulation of gene expression regulation of tumor necrosis factor superfamily cytokine production biosynthetic process negative regulation of biosynthetic process negative regulation of macromolecule biosynthetic process negative regulation of tumor necrosis factor superfamily cytokine production regulation of macromolecule biosynthetic process macromolecule metabolic process negative regulation of multicellular organismal process developmental process multicellular organism development central nervous system development anatomical structure development nervous system development system development regulation of catalytic activity negative regulation of catalytic activity regulation of transferase activity regulation of MAP kinase activity regulation of primary metabolic process negative regulation of kinase activity negative regulation of transferase activity regulation of phosphate metabolic process phosphate-containing compound metabolic process negative regulation of protein modification process phosphorus metabolic process protein modification process negative regulation of protein metabolic process protein phosphorylation phosphorylation regulation of protein metabolic process primary metabolic process regulation of molecular function regulation of kinase activity negative regulation of protein phosphorylation regulation of protein serine/threonine kinase activity macromolecule modification regulation of phosphorus metabolic process regulation of protein modification process regulation of protein phosphorylation negative regulation of phosphate metabolic process negative regulation of protein serine/threonine kinase activity protein metabolic process negative regulation of molecular function negative regulation of MAP kinase activity regulation of protein kinase activity negative regulation of protein kinase activity negative regulation of phosphorus metabolic process regulation of phosphorylation negative regulation of phosphorylation prostaglandin metabolic process icosanoid metabolic process fatty acid metabolic process unsaturated fatty acid metabolic process oxoacid metabolic process carboxylic acid metabolic process organic acid metabolic process prostanoid metabolic process small molecule metabolic process monocarboxylic acid metabolic process lipid metabolic process negative regulation of ERK1 and ERK2 cascade ERK1 and ERK2 cascade regulation of ERK1 and ERK2 cascade glutathione metabolic process modified amino acid metabolic process sulfur compound metabolic process amide metabolic process negative regulation of cell population proliferation fibroblast proliferation cell population proliferation regulation of fibroblast proliferation regulation of cell population proliferation negative regulation of fibroblast proliferation localization cellular homeostasis chemical homeostasis homeostatic process intracellular nitric oxide homeostasis nitric oxide storage intracellular chemical homeostasis long-chain fatty acid metabolic process monocarboxylic acid biosynthetic process small molecule biosynthetic process long-chain fatty acid biosynthetic process hepoxilin metabolic process lipid biosynthetic process organic acid biosynthetic process fatty acid biosynthetic process carboxylic acid biosynthetic process hepoxilin biosynthetic process regulation of programmed cell death extrinsic apoptotic signaling pathway negative regulation of extrinsic apoptotic signaling pathway negative regulation of apoptotic signaling pathway cell surface receptor signaling pathway negative regulation of programmed cell death regulation of apoptotic process cell death regulation of extrinsic apoptotic signaling pathway apoptotic signaling pathway negative regulation of apoptotic process apoptotic process programmed cell death regulation of apoptotic signaling pathway common myeloid progenitor cell proliferation response to oxidative stress response to chemical response to oxygen-containing compound response to reactive oxygen species negative regulation of JNK cascade JNK cascade regulation of JNK cascade negative regulation of JUN kinase activity regulation of JUN kinase activity regulation of monocyte chemotactic protein-1 production negative regulation of chemokine production monocyte chemotactic protein-1 production negative regulation of monocyte chemotactic protein-1 production regulation of chemokine production chemokine production negative regulation of canonical NF-kappaB signal transduction canonical NF-kappaB signal transduction regulation of canonical NF-kappaB signal transduction interleukin-1 production regulation of interleukin-1 beta production negative regulation of interleukin-1 beta production negative regulation of interleukin-1 production regulation of interleukin-1 production interleukin-1 beta production biological process involved in interspecies interaction between organisms response to lipid response to other organism cellular response to lipopolysaccharide response to external stimulus cellular response to molecule of bacterial origin response to lipopolysaccharide cellular response to oxygen-containing compound response to biotic stimulus cellular response to biotic stimulus cellular response to chemical stimulus response to bacterium cellular response to lipid response to external biotic stimulus response to molecule of bacterial origin regulation of leukocyte proliferation leukocyte proliferation negative regulation of leukocyte proliferation negative regulation of nitric-oxide synthase biosynthetic process regulation of nitric-oxide synthase biosynthetic process nitric-oxide synthase biosynthetic process cellular response to xenobiotic stimulus xenobiotic metabolic process response to xenobiotic stimulus regulation of defense response negative regulation of acute inflammatory response regulation of response to external stimulus defense response negative regulation of inflammatory response regulation of inflammatory response negative regulation of response to external stimulus negative regulation of defense response regulation of acute inflammatory response inflammatory response acute inflammatory response sulfur compound biosynthetic process glutathione derivative biosynthetic process glutathione derivative metabolic process linoleic acid metabolic process olefinic compound metabolic process response to cytokine cytokine-mediated signaling pathway cellular response to tumor necrosis factor tumor necrosis factor-mediated signaling pathway cellular response to cytokine stimulus regulation of tumor necrosis factor-mediated signaling pathway regulation of cytokine-mediated signaling pathway negative regulation of tumor necrosis factor-mediated signaling pathway response to peptide regulation of response to cytokine stimulus negative regulation of response to cytokine stimulus negative regulation of cytokine-mediated signaling pathway response to tumor necrosis factor	extracellular exosome membrane-bounded organelle extracellular vesicle cellular anatomical structure extracellular organelle extracellular region organelle extracellular space vesicle extracellular membrane-bounded organelle intracellular anatomical structure cytoplasm cytosol intracellular organelle extracellular exosome membrane-bounded organelle extracellular vesicle cellular anatomical structure extracellular organelle extracellular region organelle extracellular space vesicle extracellular membrane-bounded organelle intracellular anatomical structure cytoplasm cytosol intracellular organelle mitochondrion intracellular membrane-bounded organelle membrane-enclosed lumen intracellular vesicle ficolin-1-rich granule endomembrane system intracellular organelle lumen organelle lumen cytoplasmic vesicle ficolin-1-rich granule lumen secretory granule secretory vesicle vesicle lumen cytoplasmic vesicle lumen secretory granule lumen protein-containing complex TRAF2-GSTP1 complex nucleus

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B	IPR004046	Glutathione S-transferase, C-terminal	Domain
A, B	IPR004045	Glutathione S-transferase, N-terminal	Domain
A, B	IPR050213	Glutathione S-transferase superfamily	Family
A, B	IPR036282	Glutathione S-transferase, C-terminal domain superfamily	Homologous Superfamily
A, B	IPR010987	Glutathione S-transferase, C-terminal-like	Domain
A, B	IPR003082	Glutathione S-transferase, Pi class	Family
A, B	IPR036249	Thioredoxin-like superfamily	Homologous Superfamily
A, B	IPR040079	Glutathione transferase family	Family

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B	Pharos: P09211	amyotrophic lateral sclerosis malignant glioma renal cell carcinoma chronic myelogenous leukemia, BCR-ABL1 positive osteosarcoma breast carcinoma chromophobe renal cell carcinoma sarcomatoid carcinoma mixed glioma acute coronary syndrome urinary bladder cancer Hodgkins lymphoma amphetamine abuse Parkinson disease prostate cancer amyotrophic lateral sclerosis malignant glioma renal cell carcinoma chronic myelogenous leukemia, BCR-ABL1 positive osteosarcoma breast carcinoma chromophobe renal cell carcinoma sarcomatoid carcinoma mixed glioma acute coronary syndrome urinary bladder cancer Hodgkins lymphoma amphetamine abuse Parkinson disease prostate cancer Liver Neoplasms, Experimental carotid artery disease sarcomatoid renal cell carcinoma spindle cell sarcoma non-alcoholic fatty liver disease contact dermatitis peripheral nervous system disease prostate intraepithelial neoplasia breast cancer carcinoma sarcoma collecting duct carcinoma non-small cell lung carcinoma papillary renal cell carcinoma vestibular disease hypertensive disorder peripheral neuropathy drug allergy kidney disease asthma essential tremor renal carcinoma glioblastoma clear cell renal carcinoma nodular lymphocyte predominant Hodgkin lymphoma tuberculosis Hodgkin's lymphoma, lymphocytic-histiocytic predominance ovarian cancer drug psychosis drug-induced liver injury atypical teratoid rhabdoid tumor psoriasis lung carcinoma gastric cancer cancer glioma sarcoidosis hepatocellular carcinoma medulloblastoma hereditary diffuse gastric adenocarcinoma myocardial ischemia cocaine dependence acute kidney failure undifferentiated carcinoma Hodgkin's lymphoma, mixed cellularity adrenal cortex carcinoma pancreatic ductal adenocarcinoma coronary artery disease urinary bladder neoplasm Huntington disease precancerous condition large cell medulloblastoma epithelioid sarcoma lung benign neoplasm autism gastric neoplasm cholestasis schizophrenia Hodgkin's lymphoma, lymphocytic depletion diabetes mellitus lung cancer

Structure Motif Annotation: Mechanism and Catalytic Site Atlas M-CSA Database Homepage

Chains	Enzyme Name	Description	Catalytic Residues
A	Glutathione S-transferase A M-CSA #993	Glutathione transferase (GST) is a detoxification enzyme found in the liver. GSTs are the most important enzymes involved in the metabolism of electrophilic xenobiotic/endobiotic compounds. These enzymes are able to catalyze the nucleophilic addition of glutathione (GSH) sulfur thiolate to a wide range of electrophilic substrates, building up a less toxic and more soluble compound. Classes alpha, pi, and mu are the most extensively studied GSTs. GSTA and GSTP are similar in active site residues and have the same mechanism for glutathione transfer.	Defined by 1 residue: TYR:A-8 [auth A-7] \| Explore in 3D: M-CSA Motif Definition At least 2 residues must be present to support Structure Motif searching. EC: 2.5.1.18 (PDB Primary Data)

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.